SCHEMBL31376006

SCHEMBL31376006

CC(C)(C)OC(=O)NCc1n[nH]c(=O)c2c(O)cc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 9/20 0.51
▸ WDR77 Q9BQA1 9/20 0.51
▸ PARP1 P09874 3/20 0.44
▸ BRD4 O60885 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GFER P55789 2/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31376007 0.86 PRMT5 (0.56) PRMT5WDR77PARP1BRD4TDP1
SCHEMBL27386026 0.82 PRMT5 (0.50) PRMT5WDR77PARP1BRD4TDP1
SCHEMBL27002206 0.79 PARP1 (0.54) PRMT5WDR77PARP1BRD4TDP1
SCHEMBL30752865 0.77 PRMT5 (0.50) PRMT5WDR77PARP1KDM4ELMNA
SCHEMBL27002412 0.76 PRMT5 (0.73) PRMT5WDR77PARP1BRD4TDP1
SCHEMBL27002484 0.76 PRMT5 (0.56) PRMT5WDR77PARP1KDM4ELMNA
SCHEMBL27385996 0.75 PRMT5 (0.48) PRMT5WDR77PARP1KDM4ELMNA
SCHEMBL31375998 0.74 PRMT5 (0.63) PRMT5WDR77PARP1BRD4TDP1
SCHEMBL30753025 0.74 PRMT5 (0.47) PRMT5WDR77PARP1KDM4ELMNA
SCHEMBL23087948 0.73 PRMT5 (0.66) PRMT5WDR77PARP1BRD4TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219608-A Polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-12-31 — — CN disclosed
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